8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H18ClN5O2 — CID 156523451

IUPAC8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILES[H]/N=C/c1c(N)cc(Cl)cc1N1CCC2(NC(=O)NC2=O)C(C)C1
InChIInChI=1S/C15H18ClN5O2/c1-8-7-21(3-2-15(8)13(22)19-14(23)20-15)12-5-9(16)4-11(18)10(12)6-17/h4-6,8,17H,2-3,7,18H2,1H3,(H2,19,20,22,23)/b17-6+
InChIKeyLEQWGEFDHVJPQQ-UBKPWBPPSA-N
MW335.80 g/mol
LogP1.34
Rot. Bonds2

About 8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 156523451) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID156523451
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILES[H]/N=C/c1c(N)cc(Cl)cc1N1CCC2(NC(=O)NC2=O)C(C)C1
InChIInChI=1S/C15H18ClN5O2/c1-8-7-21(3-2-15(8)13(22)19-14(23)20-15)12-5-9(16)4-11(18)10(12)6-17/h4-6,8,17H,2-3,7,18H2,1H3,(H2,19,20,22,23)/b17-6+
InChIKeyLEQWGEFDHVJPQQ-UBKPWBPPSA-N
XLogP1.34
TPSA111.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 156523451) is 8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is [H]/N=C/c1c(N)cc(Cl)cc1N1CCC2(NC(=O)NC2=O)C(C)C1.
What is the InChIKey of 8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LEQWGEFDHVJPQQ-UBKPWBPPSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-8-7-21(3-2-15(8)13(22)19-14(23)20-15)12-5-9(16)4-11(18)10(12)6-17/h4-6,8,17H,2-3,7,18H2,1H3,(H2,19,20,22,23)/b17-6+.
What are the key properties of 8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 335.80 g/mol, XLogP of 1.34, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 156523451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).